Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"

    save_chemical_shift_assignment_data_set_one
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 'chemical_shift_assignment_data_set_one'
   _Assigned_chem_shift_list.Entry_ID                      1812
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_condition_set_one
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chem_shift_reference_par_set_one
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

      . . 1 $sample_one . 1812 1 

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

        1 . 1 1   3   3 LYS N N 15 119.8 . . 1 . . . . . . . . 1812 1 
        2 . 1 1   4   4 ILE N N 15 120.7 . . 1 . . . . . . . . 1812 1 
        3 . 1 1   5   5 ILE N N 15 126.6 . . 1 . . . . . . . . 1812 1 
        4 . 1 1   6   6 HIS N N 15 126.4 . . 1 . . . . . . . . 1812 1 
        5 . 1 1   7   7 LEU N N 15 124.8 . . 1 . . . . . . . . 1812 1 
        6 . 1 1   8   8 THR N N 15 108.4 . . 1 . . . . . . . . 1812 1 
        7 . 1 1   9   9 ASP N N 15 120   . . 1 . . . . . . . . 1812 1 
        8 . 1 1  10  10 ASP N N 15 116.3 . . 1 . . . . . . . . 1812 1 
        9 . 1 1  11  11 SER N N 15 117.4 . . 1 . . . . . . . . 1812 1 
       10 . 1 1  12  12 PHE N N 15 125.5 . . 1 . . . . . . . . 1812 1 
       11 . 1 1  13  13 ASP N N 15 117.3 . . 1 . . . . . . . . 1812 1 
       12 . 1 1  14  14 THR N N 15 112.5 . . 1 . . . . . . . . 1812 1 
       13 . 1 1  15  15 ASP N N 15 118.7 . . 1 . . . . . . . . 1812 1 
       14 . 1 1  16  16 VAL N N 15 113.4 . . 1 . . . . . . . . 1812 1 
       15 . 1 1  17  17 LEU N N 15 116.4 . . 1 . . . . . . . . 1812 1 
       16 . 1 1  18  18 LYS N N 15 115.4 . . 1 . . . . . . . . 1812 1 
       17 . 1 1  19  19 ALA N N 15 122.6 . . 1 . . . . . . . . 1812 1 
       18 . 1 1  20  20 ASP N N 15 121.2 . . 1 . . . . . . . . 1812 1 
       19 . 1 1  21  21 GLY N N 15 108.7 . . 1 . . . . . . . . 1812 1 
       20 . 1 1  22  22 ALA N N 15 123.6 . . 1 . . . . . . . . 1812 1 
       21 . 1 1  23  23 ILE N N 15 123.8 . . 1 . . . . . . . . 1812 1 
       22 . 1 1  24  24 LEU N N 15 130.7 . . 1 . . . . . . . . 1812 1 
       23 . 1 1  25  25 VAL N N 15 126.7 . . 1 . . . . . . . . 1812 1 
       24 . 1 1  26  26 ASP N N 15 124.5 . . 1 . . . . . . . . 1812 1 
       25 . 1 1  27  27 PHE N N 15 129.2 . . 1 . . . . . . . . 1812 1 
       26 . 1 1  28  28 TRP N N 15 120   . . 1 . . . . . . . . 1812 1 
       27 . 1 1  29  29 ALA N N 15 118   . . 1 . . . . . . . . 1812 1 
       28 . 1 1  30  30 GLU N N 15 120.8 . . 1 . . . . . . . . 1812 1 
       29 . 1 1  31  31 TRP N N 15 111.3 . . 1 . . . . . . . . 1812 1 
       30 . 1 1  32  32 CYS N N 15 121.8 . . 1 . . . . . . . . 1812 1 
       31 . 1 1  33  33 GLY N N 15 120.1 . . 1 . . . . . . . . 1812 1 
       32 . 1 1  35  35 CYS N N 15 113.5 . . 1 . . . . . . . . 1812 1 
       33 . 1 1  36  36 LYS N N 15 121.1 . . 1 . . . . . . . . 1812 1 
       34 . 1 1  37  37 MET N N 15 117.2 . . 1 . . . . . . . . 1812 1 
       35 . 1 1  38  38 ILE N N 15 110.4 . . 1 . . . . . . . . 1812 1 
       36 . 1 1  39  39 ALA N N 15 125.3 . . 1 . . . . . . . . 1812 1 
       37 . 1 1  41  41 ILE N N 15 116.9 . . 1 . . . . . . . . 1812 1 
       38 . 1 1  42  42 LEU N N 15 119.6 . . 1 . . . . . . . . 1812 1 
       39 . 1 1  43  43 ASP N N 15 118.7 . . 1 . . . . . . . . 1812 1 
       40 . 1 1  44  44 GLU N N 15 118.4 . . 1 . . . . . . . . 1812 1 
       41 . 1 1  45  45 ILE N N 15 121.9 . . 1 . . . . . . . . 1812 1 
       42 . 1 1  46  46 ALA N N 15 122.5 . . 1 . . . . . . . . 1812 1 
       43 . 1 1  47  47 ASP N N 15 115.3 . . 1 . . . . . . . . 1812 1 
       44 . 1 1  48  48 GLU N N 15 120.6 . . 1 . . . . . . . . 1812 1 
       45 . 1 1  49  49 TYR N N 15 115.5 . . 1 . . . . . . . . 1812 1 
       46 . 1 1  50  50 GLN N N 15 121.5 . . 1 . . . . . . . . 1812 1 
       47 . 1 1  51  51 GLY N N 15 115.5 . . 1 . . . . . . . . 1812 1 
       48 . 1 1  52  52 LYS N N 15 118.2 . . 1 . . . . . . . . 1812 1 
       49 . 1 1  53  53 LEU N N 15 119.5 . . 1 . . . . . . . . 1812 1 
       50 . 1 1  54  54 THR N N 15 123.5 . . 1 . . . . . . . . 1812 1 
       51 . 1 1  55  55 VAL N N 15 129.9 . . 1 . . . . . . . . 1812 1 
       52 . 1 1  56  56 ALA N N 15 129.4 . . 1 . . . . . . . . 1812 1 
       53 . 1 1  57  57 LYS N N 15 118.4 . . 1 . . . . . . . . 1812 1 
       54 . 1 1  58  58 LEU N N 15 123.6 . . 1 . . . . . . . . 1812 1 
       55 . 1 1  59  59 ASN N N 15 126.8 . . 1 . . . . . . . . 1812 1 
       56 . 1 1  60  60 ILE N N 15 122.9 . . 1 . . . . . . . . 1812 1 
       57 . 1 1  61  61 ASP N N 15 122   . . 1 . . . . . . . . 1812 1 
       58 . 1 1  62  62 GLN N N 15 116.2 . . 1 . . . . . . . . 1812 1 
       59 . 1 1  63  63 ASN N N 15 116.5 . . 1 . . . . . . . . 1812 1 
       60 . 1 1  65  65 GLY N N 15 112.4 . . 1 . . . . . . . . 1812 1 
       61 . 1 1  66  66 THR N N 15 118.8 . . 1 . . . . . . . . 1812 1 
       62 . 1 1  67  67 ALA N N 15 124.2 . . 1 . . . . . . . . 1812 1 
       63 . 1 1  69  69 LYS N N 15 117.1 . . 1 . . . . . . . . 1812 1 
       64 . 1 1  70  70 TYR N N 15 114.7 . . 1 . . . . . . . . 1812 1 
       65 . 1 1  71  71 GLY N N 15 108.1 . . 1 . . . . . . . . 1812 1 
       66 . 1 1  72  72 ILE N N 15 119.2 . . 1 . . . . . . . . 1812 1 
       67 . 1 1  73  73 ARG N N 15 128.1 . . 1 . . . . . . . . 1812 1 
       68 . 1 1  74  74 GLY N N 15 108.5 . . 1 . . . . . . . . 1812 1 
       69 . 1 1  75  75 ILE N N 15 114.3 . . 1 . . . . . . . . 1812 1 
       70 . 1 1  77  77 THR N N 15 118.7 . . 1 . . . . . . . . 1812 1 
       71 . 1 1  78  78 LEU N N 15 127.2 . . 1 . . . . . . . . 1812 1 
       72 . 1 1  79  79 LEU N N 15 122.2 . . 1 . . . . . . . . 1812 1 
       73 . 1 1  80  80 LEU N N 15 125.4 . . 1 . . . . . . . . 1812 1 
       74 . 1 1  81  81 PHE N N 15 128.5 . . 1 . . . . . . . . 1812 1 
       75 . 1 1  82  82 LYS N N 15 117.5 . . 1 . . . . . . . . 1812 1 
       76 . 1 1  83  83 ASN N N 15 124.3 . . 1 . . . . . . . . 1812 1 
       77 . 1 1  84  84 GLY N N 15 104.5 . . 1 . . . . . . . . 1812 1 
       78 . 1 1  85  85 GLU N N 15 118.8 . . 1 . . . . . . . . 1812 1 
       79 . 1 1  86  86 VAL N N 15 123.1 . . 1 . . . . . . . . 1812 1 
       80 . 1 1  87  87 ALA N N 15 133.3 . . 1 . . . . . . . . 1812 1 
       81 . 1 1  88  88 ALA N N 15 117.4 . . 1 . . . . . . . . 1812 1 
       82 . 1 1  89  89 THR N N 15 115.4 . . 1 . . . . . . . . 1812 1 
       83 . 1 1  90  90 LYS N N 15 126.3 . . 1 . . . . . . . . 1812 1 
       84 . 1 1  91  91 VAL N N 15 125.5 . . 1 . . . . . . . . 1812 1 
       85 . 1 1  92  92 GLY N N 15 113.7 . . 1 . . . . . . . . 1812 1 
       86 . 1 1  93  93 ALA N N 15 118.5 . . 1 . . . . . . . . 1812 1 
       87 . 1 1  94  94 LEU N N 15 119.8 . . 1 . . . . . . . . 1812 1 
       88 . 1 1  95  95 SER N N 15 120.7 . . 1 . . . . . . . . 1812 1 
       89 . 1 1  96  96 LYS N N 15 121.7 . . 1 . . . . . . . . 1812 1 
       90 . 1 1  97  97 GLY N N 15 105.5 . . 1 . . . . . . . . 1812 1 
       91 . 1 1  98  98 GLN N N 15 120.8 . . 1 . . . . . . . . 1812 1 
       92 . 1 1  99  99 LEU N N 15 123.5 . . 1 . . . . . . . . 1812 1 
       93 . 1 1 100 100 LYS N N 15 119.8 . . 1 . . . . . . . . 1812 1 
       94 . 1 1 101 101 GLU N N 15 117.9 . . 1 . . . . . . . . 1812 1 
       95 . 1 1 102 102 PHE N N 15 120.3 . . 1 . . . . . . . . 1812 1 
       96 . 1 1 103 103 LEU N N 15 121.1 . . 1 . . . . . . . . 1812 1 
       97 . 1 1 104 104 ASP N N 15 120.1 . . 1 . . . . . . . . 1812 1 
       98 . 1 1 105 105 ALA N N 15 118.5 . . 1 . . . . . . . . 1812 1 
       99 . 1 1 106 106 ASN N N 15 113.3 . . 1 . . . . . . . . 1812 1 
      100 . 1 1 107 107 LEU N N 15 121.1 . . 1 . . . . . . . . 1812 1 
      101 . 1 1 108 108 ALA N N 15 128.8 . . 1 . . . . . . . . 1812 1 

   stop_

save_